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CHEBI:141427 - Asp-Thr

ChEBI IDCHEBI:141427
ChEBI NameAsp-Thr
Stars
DefinitionA dipeptide obtained by formal condensation of the carboxy group of L-aspartic acid with the amino group of L-threonine.
Last Modified10 October 2018
Submittermwilliams
DownloadsMolfile
FormulaC8H14N2O6
Net Charge0
Average Mass234.208
Monoisotopic Mass234.08519
SMILESC[C@@H](O)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O
InChIInChI=1S/C8H14N2O6/c1-3(11)6(8(15)16)10-7(14)4(9)2-5(12)13/h3-4,6,11H,2,9H2,1H3,(H,10,14)(H,12,13)(H,15,16)/t3-,4+,6+/m1/s1
InChIKeyNTQDELBZOMWXRS-IWGUZYHVSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Asp-Thr (CHEBI:141427) has functional parent L-aspartic acid (CHEBI:17053)
Asp-Thr (CHEBI:141427) has functional parent L-threonine (CHEBI:16857)
Asp-Thr (CHEBI:141427) is a dipeptide (CHEBI:46761)
IUPAC Name 
L-α-aspartyl-L-threonine
Synonyms  Source
aspartylthreonineSUBMITTER
D-TSUBMITTER
DTSUBMITTER
(3S)-3-amino-4-{[(1S,2R)-1-carboxy-2-hydroxypropyl]amino}-4-oxobutanoic acidIUPAC
L-aspartyl-L-threonineHMDB
DT dipeptideHMDB
Manual XrefsDatabases
HMDB0028763HMDB
Registry NumbersSources
Reaxys:27312740Reaxys
Citations